Create a TOML config file

Create a TOML file.

The table [project] specifies the project name that will bu use for all file simulation names.

[project]
name = "cat_ex_1d"

The table [models] specifies the names of the flow and transport models involved in the reaction calculations.

[models]
flow_models = ["gwf_cat_ex_1d"]
reaction_models = ["gwt_cat_ex_1d"]

The tables [[bc_concentrations]] specify the solution numbers for all boundary conditions that specify concentrations.

[[bc_concentrations]]
model_name = "gwf_cat_ex_1d"
bc_type = "wel"
file_name = "mf6/gwf_cat_ex_1d.wel"
src = "rtmf6_sol_number"
dst = "concentration"

The tables [[initial_concentrations]] specify the solution numbers for the spatial distribution of initial concentrations.

[[initial_concentrations]]
model_name = "gwt_cat_ex_1d"
file_name = "mf6/gwt_cat_ex_1d.ic"

The tables [[exchanges]] specify the solution numbers for the spatial distribution of initial concentrations.

[[exchanges]]
model_name = "gwt_cat_ex_1d"
file_name = "rtmf6/init_exchanges.ic"

The table [phreeqcrm] specifies PhreeqcRM related information. The file under model_yaml_file will be created by rtmf6 and can be useful for fining input errors.

[phreeqcrm]
number_of_threads = 1
chemistry_name = "phreeqcrm/advect.pqi"
database = "phreeqcrm/phreeqc.dat"
model_yaml_file = "phreeqcrm/model.yaml"

[output]
equilibrium_phases = "out/equilibrium_phases"
concentrations = "out/concentrations"
selected_output = "out/selected_output"
save_all = false  # default